1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide

C16H15N5O2S — CID 176873172

IUPAC1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide
SMILESN#Cc1ccc2ncc3[nH]c(CS(=O)(=O)NCC4CC4)nc3c2c1
InChIInChI=1S/C16H15N5O2S/c17-6-11-3-4-13-12(5-11)16-14(8-18-13)20-15(21-16)9-24(22,23)19-7-10-1-2-10/h3-5,8,10,19H,1-2,7,9H2,(H,20,21)
InChIKeyHZIHRJWRFRKIFD-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.81
Rot. Bonds5

About 1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide

1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide (PubChem CID 176873172) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide
PubChem CID176873172
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide
SMILESN#Cc1ccc2ncc3[nH]c(CS(=O)(=O)NCC4CC4)nc3c2c1
InChIInChI=1S/C16H15N5O2S/c17-6-11-3-4-13-12(5-11)16-14(8-18-13)20-15(21-16)9-24(22,23)19-7-10-1-2-10/h3-5,8,10,19H,1-2,7,9H2,(H,20,21)
InChIKeyHZIHRJWRFRKIFD-UHFFFAOYSA-N
XLogP1.81
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 176873132
2-[(5-methylsulfonyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170582675
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666679
2-[(5S)-3-(cyclopropylmethyl)-2-oxo-1,3-oxazolidin-5-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 176873075
2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583020
2-[[5-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-oxadiazol-3-yl]methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 176652188
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 176873283
2-(8-cyclopropyl-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)acetamide
CID 176873379
2-methyloxane;2-(1,2-oxazol-3-ylmethyl)-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 145275567
2-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 176873022
2-[1-(cyclopropylmethyl)-6-oxopiperidin-3-yl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile;(2R)-2-methyloxane
CID 170583019
2-[difluoro(pyridin-2-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126712441

Frequently Asked Questions

What is the IUPAC name of 1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide?
The IUPAC name of 1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide (CID 176873172) is 1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide?
The canonical SMILES for 1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide is N#Cc1ccc2ncc3[nH]c(CS(=O)(=O)NCC4CC4)nc3c2c1.
What is the InChIKey of 1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide?
The InChIKey is HZIHRJWRFRKIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-6-11-3-4-13-12(5-11)16-14(8-18-13)20-15(21-16)9-24(22,23)19-7-10-1-2-10/h3-5,8,10,19H,1-2,7,9H2,(H,20,21).
What are the key properties of 1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide?
1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide has a molecular weight of 341.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyano-3H-imidazo[4,5-c]quinolin-2-yl)-N-(cyclopropylmethyl)methanesulfonamide is sourced from PubChem (CID 176873172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).